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GPCR

NameSubstance-K receptor
SpeciesRattus norvegicus (Rat)
GeneTacr2
SynonymTAC2R
Substance K receptor
SP-E receptor
SKR
NKNAR
[ Show all ]
DiseaseN/A for non-human GPCRs
Length390
Amino acid sequenceMGTRAIVSDANILSGLESNATGVTAFSMPGWQLALWATAYLALVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFIYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAIIAGIWLVALALASPQCFYSTITVDEGATKCVVAWPNDNGGKMLLLYHLVVFVLIYFLPLLVMFGAYSVIGLTLWKRAVPRHQAHGANLRHLQAKKKFVKAMVLVVLTFAICWLPYHLYFILGTFQEDIYYHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTHTPSLSRRVNRCHTKETLFMTGDMTHSEATNGQVGSPQDGEPAGPICKAQA
UniProtP16610
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4554
IUPHAR361
DrugBankN/A

Ligand

NameCHEMBL412621
Molecular formulaC60H64N10O12
IUPAC name(3S)-3-amino-4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight1117.23
Hydrogen bond acceptor13
Hydrogen bond donor14
XlogP3.2
SynonymsBDBM50407419
Inchi KeyBQXKNSNMZOPNLD-RANNHXKVSA-N
Inchi IDInChI=1S/C60H64N10O12/c1-32(2)53(70-58(79)50(27-37-31-64-46-14-8-5-11-42(37)46)67-55(76)47(23-33-15-19-38(71)20-16-33)65-54(75)43(61)28-52(73)74)59(80)68-49(26-36-30-63-45-13-7-4-10-41(36)45)56(77)66-48(25-35-29-62-44-12-6-3-9-40(35)44)57(78)69-51(60(81)82)24-34-17-21-39(72)22-18-34/h3-22,29-32,43,47-51,53,62-64,71-72H,23-28,61H2,1-2H3,(H,65,75)(H,66,77)(H,67,76)(H,68,80)(H,69,78)(H,70,79)(H,73,74)(H,81,82)/t43-,47-,48+,49+,50+,51-,53-/m0/s1
PubChem CID44324613
ChEMBLCHEMBL412621
IUPHARN/A
BindingDB50407419
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Kd190.55 nMPMID7629809BindingDB,ChEMBL

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